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Crystals 2015, 5(4), 617-633; doi:10.3390/cryst5040617

The Search for Hydrogen Stores on a Large Scale; A Straightforward and Automated Open Database Analysis as a First Sweep for Candidate Materials

WestCHEM, School of Chemistry, University of Glasgow, University Avenue, Glasgow, G12 8QQ, UK
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Academic Editor: Helmut Cölfen
Received: 5 November 2015 / Revised: 17 November 2015 / Accepted: 18 November 2015 / Published: 25 November 2015
(This article belongs to the Special Issue Crystalline Hydrogen Storage Materials)
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Abstract

The storage of hydrogen is considered as the bottleneck in the implementation of portable fuel cell power generating systems. The necessary experimental studies to discover and develop appropriate storage materials are always time-limited. We discuss herein the approach of an uncomplicated and accessible computationally based analysis of database knowledge towards the identification of promising storage systems. The open access policy of the Crystallography Open Database (COD) invites researchers to grasp the opportunity to formulate targeted analyses of crystalline solids, unfettered by material resources. We apply such an approach to the initial evaluation of potential solid-state hydrogen stores, although the method could potentially be transferred to other material analysis tasks. View Full-Text
Keywords: hydrogen storage; crystallography; cif files; structure; hydrides hydrogen storage; crystallography; cif files; structure; hydrides
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Breternitz, J.; Gregory, D.H. The Search for Hydrogen Stores on a Large Scale; A Straightforward and Automated Open Database Analysis as a First Sweep for Candidate Materials. Crystals 2015, 5, 617-633.

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